1.0 2010-04-08 22:10:20 UTC 2019-11-26 03:07:31 UTC FDB012747 N-(14-Methylhexadecanoyl)pyrrolidine Alkaloid from Ipomoea aquatica (water spinach). N-(14-Methylhexadecanoyl)pyrrolidine is found in green vegetables. 14-Methylhexadecanoic pyrrolidide Alkaloid MQ-A3 N-(14-Methylhexadecanoyl)pyrrolidine C21H41NO 323.5563 323.318814939 14-methyl-1-(pyrrolidin-1-yl)hexadecan-1-one 14-methyl-1-(pyrrolidin-1-yl)hexadecan-1-one 260058-83-1 CCC(C)CCCCCCCCCCCCC(=O)N1CCCC1 InChI=1S/C21H41NO/c1-3-20(2)16-12-10-8-6-4-5-7-9-11-13-17-21(23)22-18-14-15-19-22/h20H,3-19H2,1-2H3 VRAFLAJRBDTYBS-UHFFFAOYSA-N belongs to the class of organic compounds known as n-acylpyrrolidines. These are n-Acylated Pyrrolidine derivatives. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. N-acylpyrrolidines Organic compounds Organoheterocyclic compounds Pyrrolidines N-acylpyrrolidines Aliphatic heteromonocyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Tertiary carboxylic acid amides Aliphatic heteromonocyclic compound Azacycle Carbonyl group Carboxamide group Carboxylic acid derivative Hydrocarbon derivative N-acylpyrrolidine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Tertiary carboxylic acid amide logp 6.71 ALOGPS logs -6.42 ALOGPS solubility 1.24e-04 g/l ALOGPS logp 6.59 ChemAxon pka_strongest_basic 0.12 ChemAxon iupac 14-methyl-1-(pyrrolidin-1-yl)hexadecan-1-one ChemAxon average_mass 323.5563 ChemAxon mono_mass 323.318814939 ChemAxon smiles CCC(C)CCCCCCCCCCCCC(=O)N1CCCC1 ChemAxon formula C21H41NO ChemAxon inchi InChI=1S/C21H41NO/c1-3-20(2)16-12-10-8-6-4-5-7-9-11-13-17-21(23)22-18-14-15-19-22/h20H,3-19H2,1-2H3 ChemAxon inchikey VRAFLAJRBDTYBS-UHFFFAOYSA-N ChemAxon polar_surface_area 20.31 ChemAxon refractivity 100.79 ChemAxon polarizability 43.63 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12806 Specdb::CMs 150979 Specdb::MsMs 55617 Specdb::MsMs 55618 Specdb::MsMs 55619 Specdb::MsMs 110808 Specdb::MsMs 110809 Specdb::MsMs 110810 Specdb::MsMs 2404994 Specdb::MsMs 2404995 Specdb::MsMs 2404996 Specdb::MsMs 2530455 Specdb::MsMs 2530456 Specdb::MsMs 2530457 HMDB34373 #<Reference:0x000055ce323d7678> Green vegetables Unknown generic